USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -34:sc= 1.98 USER MOD Set 1.2: A 40 TYR OH : rot -153:sc= -1.42! USER MOD Set 1.3: A 48 THR OG1 : rot -21:sc= 2.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -170:sc= 0.112 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 21 THR OG1 : rot 77:sc= 0.188 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 52:sc= 1.16 USER MOD Single : A 46 MET CE :methyl 138:sc= -0.403 (180deg=-1.32!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 70:sc= -1.85 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.429 K(o=0.43,f=-9.6!) USER MOD Single : A 87 PSR O33 : rot -124:sc= 0.296 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.714 9.232 3.966 1.00 3.26 N ATOM 2 CA MET A 1 19.633 8.252 3.391 1.00 3.05 C ATOM 3 C MET A 1 18.910 7.388 2.381 1.00 2.56 C ATOM 4 O MET A 1 19.301 7.328 1.217 1.00 2.94 O ATOM 5 CB MET A 1 20.256 7.378 4.486 1.00 3.74 C ATOM 6 CG MET A 1 21.194 6.307 3.961 1.00 4.31 C ATOM 7 SD MET A 1 21.854 5.278 5.278 1.00 5.28 S ATOM 8 CE MET A 1 22.841 4.131 4.334 1.00 5.97 C ATOM 0 H1 MET A 1 19.221 9.820 4.658 1.00 3.26 H new ATOM 0 H2 MET A 1 18.334 9.837 3.210 1.00 3.26 H new ATOM 0 H3 MET A 1 17.931 8.738 4.440 1.00 3.26 H new ATOM 0 HA MET A 1 20.435 8.791 2.887 1.00 3.05 H new ATOM 0 HB2 MET A 1 20.802 8.017 5.180 1.00 3.74 H new ATOM 0 HB3 MET A 1 19.457 6.901 5.054 1.00 3.74 H new ATOM 0 HG2 MET A 1 20.663 5.681 3.244 1.00 4.31 H new ATOM 0 HG3 MET A 1 22.017 6.779 3.424 1.00 4.31 H new ATOM 0 HE1 MET A 1 23.320 3.422 5.009 1.00 5.97 H new ATOM 0 HE2 MET A 1 22.202 3.591 3.634 1.00 5.97 H new ATOM 0 HE3 MET A 1 23.605 4.678 3.781 1.00 5.97 H new ATOM 20 N ALA A 2 17.861 6.729 2.814 1.00 2.10 N ATOM 21 CA ALA A 2 17.088 5.882 1.943 1.00 1.73 C ATOM 22 C ALA A 2 15.950 6.680 1.340 1.00 1.51 C ATOM 23 O ALA A 2 15.547 7.716 1.890 1.00 1.50 O ATOM 24 CB ALA A 2 16.553 4.681 2.711 1.00 1.60 C ATOM 0 H ALA A 2 17.522 6.766 3.775 1.00 2.10 H new ATOM 0 HA ALA A 2 17.727 5.514 1.140 1.00 1.73 H new ATOM 0 HB1 ALA A 2 15.971 4.050 2.040 1.00 1.60 H new ATOM 0 HB2 ALA A 2 17.387 4.108 3.116 1.00 1.60 H new ATOM 0 HB3 ALA A 2 15.918 5.025 3.528 1.00 1.60 H new ATOM 30 N THR A 3 15.471 6.248 0.216 1.00 1.47 N ATOM 31 CA THR A 3 14.366 6.878 -0.429 1.00 1.37 C ATOM 32 C THR A 3 13.107 6.123 -0.051 1.00 1.07 C ATOM 33 O THR A 3 12.898 4.993 -0.483 1.00 1.10 O ATOM 34 CB THR A 3 14.592 6.827 -1.928 1.00 1.63 C ATOM 35 OG1 THR A 3 15.908 7.363 -2.208 1.00 2.22 O ATOM 36 CG2 THR A 3 13.541 7.638 -2.680 1.00 2.02 C ATOM 0 H THR A 3 15.841 5.439 -0.284 1.00 1.47 H new ATOM 0 HA THR A 3 14.266 7.919 -0.122 1.00 1.37 H new ATOM 0 HB THR A 3 14.514 5.792 -2.262 1.00 1.63 H new ATOM 0 HG1 THR A 3 16.073 7.337 -3.174 1.00 2.22 H new ATOM 0 HG21 THR A 3 13.734 7.579 -3.751 1.00 2.02 H new ATOM 0 HG22 THR A 3 12.550 7.236 -2.467 1.00 2.02 H new ATOM 0 HG23 THR A 3 13.587 8.679 -2.360 1.00 2.02 H new ATOM 44 N LEU A 4 12.308 6.726 0.796 1.00 0.91 N ATOM 45 CA LEU A 4 11.138 6.072 1.332 1.00 0.65 C ATOM 46 C LEU A 4 9.877 6.735 0.843 1.00 0.63 C ATOM 47 O LEU A 4 9.922 7.772 0.178 1.00 0.84 O ATOM 48 CB LEU A 4 11.146 6.125 2.862 1.00 0.62 C ATOM 49 CG LEU A 4 12.361 5.541 3.573 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.136 5.571 5.070 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.648 4.126 3.098 1.00 0.51 C ATOM 0 H LEU A 4 12.449 7.679 1.132 1.00 0.91 H new ATOM 0 HA LEU A 4 11.162 5.036 0.993 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.046 7.167 3.164 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.260 5.602 3.223 1.00 0.62 H new ATOM 0 HG LEU A 4 13.233 6.149 3.332 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.006 5.153 5.577 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.987 6.601 5.395 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.254 4.981 5.317 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.520 3.736 3.623 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.786 3.491 3.304 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.844 4.135 2.026 1.00 0.51 H new ATOM 63 N LEU A 5 8.767 6.144 1.190 1.00 0.44 N ATOM 64 CA LEU A 5 7.466 6.659 0.884 1.00 0.40 C ATOM 65 C LEU A 5 6.917 7.367 2.094 1.00 0.35 C ATOM 66 O LEU A 5 7.123 6.924 3.251 1.00 0.41 O ATOM 67 CB LEU A 5 6.506 5.529 0.529 1.00 0.41 C ATOM 68 CG LEU A 5 6.828 4.709 -0.698 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.818 3.591 -0.847 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.805 5.587 -1.915 1.00 0.81 C ATOM 0 H LEU A 5 8.745 5.266 1.708 1.00 0.44 H new ATOM 0 HA LEU A 5 7.559 7.339 0.037 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.450 4.853 1.382 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.513 5.958 0.397 1.00 0.41 H new ATOM 0 HG LEU A 5 7.823 4.276 -0.590 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.055 3.003 -1.733 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.852 2.950 0.034 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.819 4.015 -0.949 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.038 4.991 -2.798 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.815 6.029 -2.026 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.546 6.379 -1.806 1.00 0.81 H new ATOM 82 N THR A 6 6.231 8.431 1.857 1.00 0.37 N ATOM 83 CA THR A 6 5.599 9.157 2.898 1.00 0.42 C ATOM 84 C THR A 6 4.132 8.778 2.937 1.00 0.35 C ATOM 85 O THR A 6 3.618 8.168 1.981 1.00 0.34 O ATOM 86 CB THR A 6 5.720 10.669 2.653 1.00 0.59 C ATOM 87 OG1 THR A 6 5.240 10.965 1.325 1.00 0.65 O ATOM 88 CG2 THR A 6 7.163 11.135 2.803 1.00 0.72 C ATOM 0 H THR A 6 6.093 8.824 0.926 1.00 0.37 H new ATOM 0 HA THR A 6 6.082 8.915 3.844 1.00 0.42 H new ATOM 0 HB THR A 6 5.121 11.198 3.394 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.456 11.894 1.098 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.219 12.209 2.624 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.513 10.916 3.812 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.791 10.614 2.080 1.00 0.72 H new ATOM 96 N THR A 7 3.466 9.107 4.015 1.00 0.40 N ATOM 97 CA THR A 7 2.037 8.915 4.130 1.00 0.43 C ATOM 98 C THR A 7 1.307 9.671 2.987 1.00 0.41 C ATOM 99 O THR A 7 0.252 9.247 2.505 1.00 0.43 O ATOM 100 CB THR A 7 1.564 9.417 5.492 1.00 0.58 C ATOM 101 OG1 THR A 7 2.471 8.920 6.497 1.00 0.69 O ATOM 102 CG2 THR A 7 0.164 8.899 5.794 1.00 0.66 C ATOM 0 H THR A 7 3.899 9.517 4.842 1.00 0.40 H new ATOM 0 HA THR A 7 1.804 7.854 4.044 1.00 0.43 H new ATOM 0 HB THR A 7 1.543 10.507 5.489 1.00 0.58 H new ATOM 0 HG1 THR A 7 2.184 9.234 7.380 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.158 9.266 6.769 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.527 9.250 5.028 1.00 0.66 H new ATOM 0 HG23 THR A 7 0.173 7.809 5.802 1.00 0.66 H new ATOM 110 N ASP A 8 1.887 10.801 2.591 1.00 0.44 N ATOM 111 CA ASP A 8 1.401 11.622 1.478 1.00 0.51 C ATOM 112 C ASP A 8 1.416 10.820 0.173 1.00 0.47 C ATOM 113 O ASP A 8 0.428 10.792 -0.567 1.00 0.52 O ATOM 114 CB ASP A 8 2.289 12.860 1.323 1.00 0.63 C ATOM 115 CG ASP A 8 1.784 13.859 0.298 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.897 13.609 -0.922 1.00 2.38 O ATOM 117 OD2 ASP A 8 1.314 14.944 0.701 1.00 1.63 O ATOM 0 H ASP A 8 2.721 11.181 3.039 1.00 0.44 H new ATOM 0 HA ASP A 8 0.377 11.928 1.694 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.373 13.358 2.289 1.00 0.63 H new ATOM 0 HB3 ASP A 8 3.292 12.541 1.041 1.00 0.63 H new ATOM 122 N ASP A 9 2.541 10.168 -0.106 1.00 0.45 N ATOM 123 CA ASP A 9 2.684 9.374 -1.338 1.00 0.49 C ATOM 124 C ASP A 9 1.813 8.138 -1.277 1.00 0.47 C ATOM 125 O ASP A 9 1.121 7.790 -2.244 1.00 0.56 O ATOM 126 CB ASP A 9 4.133 8.962 -1.583 1.00 0.60 C ATOM 127 CG ASP A 9 4.322 8.359 -2.963 1.00 1.11 C ATOM 128 OD1 ASP A 9 4.038 7.174 -3.163 1.00 2.00 O ATOM 129 OD2 ASP A 9 4.759 9.096 -3.885 1.00 1.08 O ATOM 0 H ASP A 9 3.365 10.169 0.495 1.00 0.45 H new ATOM 0 HA ASP A 9 2.364 10.007 -2.166 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.781 9.831 -1.474 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.439 8.240 -0.826 1.00 0.60 H new ATOM 134 N LEU A 10 1.798 7.514 -0.111 1.00 0.42 N ATOM 135 CA LEU A 10 1.029 6.306 0.109 1.00 0.44 C ATOM 136 C LEU A 10 -0.455 6.596 -0.070 1.00 0.42 C ATOM 137 O LEU A 10 -1.204 5.749 -0.542 1.00 0.50 O ATOM 138 CB LEU A 10 1.271 5.775 1.523 1.00 0.45 C ATOM 139 CG LEU A 10 0.609 4.441 1.858 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.264 3.296 1.099 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.618 4.192 3.353 1.00 0.80 C ATOM 0 H LEU A 10 2.318 7.832 0.707 1.00 0.42 H new ATOM 0 HA LEU A 10 1.345 5.556 -0.616 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.346 5.673 1.672 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.920 6.522 2.235 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.431 4.492 1.537 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.771 2.359 1.358 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.172 3.470 0.027 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.319 3.238 1.368 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.141 3.235 3.565 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.647 4.172 3.712 1.00 0.80 H new ATOM 0 HD23 LEU A 10 0.073 4.989 3.858 1.00 0.80 H new ATOM 153 N ARG A 11 -0.857 7.809 0.299 1.00 0.40 N ATOM 154 CA ARG A 11 -2.231 8.251 0.173 1.00 0.41 C ATOM 155 C ARG A 11 -2.706 8.071 -1.265 1.00 0.40 C ATOM 156 O ARG A 11 -3.665 7.352 -1.514 1.00 0.42 O ATOM 157 CB ARG A 11 -2.382 9.717 0.607 1.00 0.48 C ATOM 158 CG ARG A 11 -3.808 10.112 0.962 1.00 0.58 C ATOM 159 CD ARG A 11 -3.925 11.598 1.286 1.00 0.72 C ATOM 160 NE ARG A 11 -3.749 12.443 0.098 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.735 13.787 0.096 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.676 14.460 1.240 1.00 2.01 N ATOM 163 NH2 ARG A 11 -3.712 14.449 -1.058 1.00 2.57 N ATOM 0 H ARG A 11 -0.232 8.511 0.695 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.849 7.641 0.831 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.740 9.898 1.469 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -2.026 10.362 -0.197 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.469 9.869 0.130 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.144 9.527 1.818 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.902 11.795 1.728 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.177 11.865 2.033 1.00 0.72 H new ATOM 0 HE ARG A 11 -3.628 11.972 -0.798 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -3.641 13.957 2.127 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -3.666 15.480 1.232 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -3.705 13.937 -1.940 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -3.701 15.469 -1.061 1.00 2.57 H new ATOM 177 N ARG A 12 -1.988 8.687 -2.209 1.00 0.43 N ATOM 178 CA ARG A 12 -2.348 8.611 -3.632 1.00 0.49 C ATOM 179 C ARG A 12 -2.302 7.165 -4.162 1.00 0.49 C ATOM 180 O ARG A 12 -2.964 6.834 -5.141 1.00 0.59 O ATOM 181 CB ARG A 12 -1.518 9.615 -4.504 1.00 0.64 C ATOM 182 CG ARG A 12 -0.027 9.310 -4.688 1.00 0.85 C ATOM 183 CD ARG A 12 0.231 8.302 -5.813 1.00 1.00 C ATOM 184 NE ARG A 12 -0.083 8.867 -7.138 1.00 1.77 N ATOM 185 CZ ARG A 12 -0.977 8.379 -8.018 1.00 2.43 C ATOM 186 NH1 ARG A 12 -1.745 7.340 -7.702 1.00 2.51 N ATOM 187 NH2 ARG A 12 -1.116 8.951 -9.204 1.00 3.48 N ATOM 0 H ARG A 12 -1.155 9.243 -2.016 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.387 8.929 -3.720 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.977 9.666 -5.491 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.609 10.606 -4.058 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.506 10.236 -4.905 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.379 8.920 -3.755 1.00 0.85 H new ATOM 0 HD2 ARG A 12 1.275 7.990 -5.789 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -0.372 7.409 -5.646 1.00 1.00 H new ATOM 0 HE ARG A 12 0.425 9.707 -7.414 1.00 1.77 H new ATOM 0 HH11 ARG A 12 -1.660 6.904 -6.784 1.00 2.51 H new ATOM 0 HH12 ARG A 12 -2.419 6.980 -8.378 1.00 2.51 H new ATOM 0 HH21 ARG A 12 -0.546 9.760 -9.450 1.00 3.48 H new ATOM 0 HH22 ARG A 12 -1.793 8.582 -9.872 1.00 3.48 H new ATOM 201 N ALA A 13 -1.479 6.328 -3.538 1.00 0.50 N ATOM 202 CA ALA A 13 -1.392 4.917 -3.900 1.00 0.59 C ATOM 203 C ALA A 13 -2.678 4.188 -3.504 1.00 0.55 C ATOM 204 O ALA A 13 -3.252 3.451 -4.293 1.00 0.65 O ATOM 205 CB ALA A 13 -0.173 4.266 -3.260 1.00 0.70 C ATOM 0 H ALA A 13 -0.860 6.604 -2.776 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.276 4.843 -4.981 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.130 3.215 -3.545 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.731 4.771 -3.601 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.246 4.345 -2.175 1.00 0.70 H new ATOM 211 N LEU A 14 -3.128 4.427 -2.289 1.00 0.47 N ATOM 212 CA LEU A 14 -4.373 3.846 -1.789 1.00 0.48 C ATOM 213 C LEU A 14 -5.571 4.410 -2.560 1.00 0.53 C ATOM 214 O LEU A 14 -6.460 3.682 -2.985 1.00 0.70 O ATOM 215 CB LEU A 14 -4.515 4.085 -0.269 1.00 0.48 C ATOM 216 CG LEU A 14 -3.767 3.116 0.700 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.429 1.768 0.757 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.307 2.942 0.336 1.00 0.92 C ATOM 0 H LEU A 14 -2.649 5.026 -1.617 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.347 2.768 -1.951 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.173 5.098 -0.057 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.576 4.049 -0.023 1.00 0.48 H new ATOM 0 HG LEU A 14 -3.820 3.583 1.683 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.880 1.122 1.442 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.455 1.881 1.109 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.434 1.323 -0.238 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.835 2.259 1.042 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.229 2.534 -0.672 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.805 3.908 0.375 1.00 0.92 H new ATOM 230 N VAL A 15 -5.557 5.719 -2.778 1.00 0.49 N ATOM 231 CA VAL A 15 -6.596 6.410 -3.557 1.00 0.60 C ATOM 232 C VAL A 15 -6.669 5.874 -5.025 1.00 0.66 C ATOM 233 O VAL A 15 -7.692 5.999 -5.707 1.00 0.87 O ATOM 234 CB VAL A 15 -6.399 7.975 -3.515 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.415 8.721 -4.359 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.477 8.477 -2.090 1.00 0.84 C ATOM 0 H VAL A 15 -4.828 6.338 -2.423 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.556 6.190 -3.089 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.412 8.171 -3.934 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.229 9.793 -4.290 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.328 8.404 -5.398 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.420 8.503 -3.996 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.339 9.558 -2.077 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.452 8.230 -1.670 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.696 8.005 -1.495 1.00 0.84 H new ATOM 246 N GLU A 16 -5.617 5.196 -5.451 1.00 0.64 N ATOM 247 CA GLU A 16 -5.521 4.682 -6.796 1.00 0.77 C ATOM 248 C GLU A 16 -6.376 3.419 -6.933 1.00 0.70 C ATOM 249 O GLU A 16 -7.301 3.362 -7.749 1.00 0.81 O ATOM 250 CB GLU A 16 -4.056 4.340 -7.090 1.00 0.95 C ATOM 251 CG GLU A 16 -3.760 3.963 -8.514 1.00 1.63 C ATOM 252 CD GLU A 16 -3.926 5.122 -9.437 1.00 1.66 C ATOM 253 OE1 GLU A 16 -2.979 5.919 -9.576 1.00 1.92 O ATOM 254 OE2 GLU A 16 -4.995 5.282 -10.030 1.00 2.10 O ATOM 0 H GLU A 16 -4.806 4.989 -4.868 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.880 5.432 -7.501 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.439 5.198 -6.822 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.755 3.516 -6.443 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.741 3.584 -8.586 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.423 3.155 -8.822 1.00 1.63 H new ATOM 261 N SER A 17 -6.135 2.455 -6.064 1.00 0.58 N ATOM 262 CA SER A 17 -6.812 1.177 -6.138 1.00 0.61 C ATOM 263 C SER A 17 -8.215 1.268 -5.523 1.00 0.69 C ATOM 264 O SER A 17 -9.110 0.455 -5.834 1.00 0.82 O ATOM 265 CB SER A 17 -5.952 0.142 -5.453 1.00 0.57 C ATOM 266 OG SER A 17 -4.606 0.294 -5.896 1.00 1.00 O ATOM 0 H SER A 17 -5.471 2.536 -5.294 1.00 0.58 H new ATOM 0 HA SER A 17 -6.953 0.883 -7.178 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.008 0.261 -4.371 1.00 0.57 H new ATOM 0 HB3 SER A 17 -6.314 -0.860 -5.683 1.00 0.57 H new ATOM 0 HG SER A 17 -4.600 0.581 -6.833 1.00 1.00 H new ATOM 272 N ALA A 18 -8.421 2.278 -4.678 1.00 0.78 N ATOM 273 CA ALA A 18 -9.742 2.565 -4.135 1.00 0.97 C ATOM 274 C ALA A 18 -10.633 3.111 -5.248 1.00 1.13 C ATOM 275 O ALA A 18 -11.845 2.992 -5.203 1.00 1.49 O ATOM 276 CB ALA A 18 -9.653 3.557 -2.984 1.00 1.11 C ATOM 0 H ALA A 18 -7.687 2.910 -4.357 1.00 0.78 H new ATOM 0 HA ALA A 18 -10.175 1.644 -3.743 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -10.652 3.755 -2.596 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -9.032 3.140 -2.191 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.211 4.488 -3.339 1.00 1.11 H new ATOM 282 N GLY A 19 -9.999 3.680 -6.270 1.00 1.13 N ATOM 283 CA GLY A 19 -10.718 4.171 -7.428 1.00 1.48 C ATOM 284 C GLY A 19 -11.151 3.024 -8.320 1.00 1.60 C ATOM 285 O GLY A 19 -12.147 3.112 -9.029 1.00 2.02 O ATOM 0 H GLY A 19 -8.988 3.810 -6.314 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -11.592 4.737 -7.106 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -10.085 4.856 -7.991 1.00 1.48 H new ATOM 289 N GLU A 20 -10.387 1.931 -8.277 1.00 2.22 N ATOM 290 CA GLU A 20 -10.717 0.722 -9.031 1.00 3.33 C ATOM 291 C GLU A 20 -11.918 0.051 -8.388 1.00 3.66 C ATOM 292 O GLU A 20 -12.792 -0.508 -9.044 1.00 4.35 O ATOM 293 CB GLU A 20 -9.499 -0.221 -9.104 1.00 4.13 C ATOM 294 CG GLU A 20 -9.723 -1.508 -9.890 1.00 5.10 C ATOM 295 CD GLU A 20 -10.130 -1.257 -11.320 1.00 5.65 C ATOM 296 OE1 GLU A 20 -9.247 -1.040 -12.174 1.00 6.03 O ATOM 297 OE2 GLU A 20 -11.341 -1.285 -11.624 1.00 5.97 O ATOM 0 H GLU A 20 -9.532 1.859 -7.725 1.00 2.22 H new ATOM 0 HA GLU A 20 -10.975 0.983 -10.057 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -8.666 0.320 -9.553 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -9.199 -0.481 -8.089 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -8.808 -2.100 -9.876 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -10.494 -2.100 -9.396 1.00 5.10 H new ATOM 304 N THR A 21 -11.972 0.195 -7.128 1.00 3.56 N ATOM 305 CA THR A 21 -13.052 -0.316 -6.327 1.00 4.12 C ATOM 306 C THR A 21 -13.988 0.869 -6.041 1.00 3.91 C ATOM 307 O THR A 21 -14.304 1.199 -4.886 1.00 4.42 O ATOM 308 CB THR A 21 -12.500 -0.911 -5.014 1.00 4.95 C ATOM 309 OG1 THR A 21 -11.322 -1.706 -5.318 1.00 5.36 O ATOM 310 CG2 THR A 21 -13.540 -1.818 -4.371 1.00 5.71 C ATOM 0 H THR A 21 -11.256 0.682 -6.590 1.00 3.56 H new ATOM 0 HA THR A 21 -13.589 -1.112 -6.843 1.00 4.12 H new ATOM 0 HB THR A 21 -12.253 -0.099 -4.330 1.00 4.95 H new ATOM 0 HG1 THR A 21 -10.560 -1.112 -5.483 1.00 5.36 H new ATOM 0 HG21 THR A 21 -13.139 -2.232 -3.446 1.00 5.71 H new ATOM 0 HG22 THR A 21 -14.439 -1.242 -4.152 1.00 5.71 H new ATOM 0 HG23 THR A 21 -13.787 -2.630 -5.055 1.00 5.71 H new ATOM 318 N ASP A 22 -14.420 1.500 -7.131 1.00 3.55 N ATOM 319 CA ASP A 22 -15.193 2.731 -7.094 1.00 3.80 C ATOM 320 C ASP A 22 -16.460 2.578 -6.273 1.00 3.75 C ATOM 321 O ASP A 22 -17.215 1.590 -6.410 1.00 4.22 O ATOM 322 CB ASP A 22 -15.512 3.268 -8.513 1.00 4.39 C ATOM 323 CG ASP A 22 -16.630 2.539 -9.238 1.00 4.93 C ATOM 324 OD1 ASP A 22 -16.380 1.419 -9.746 1.00 5.23 O ATOM 325 OD2 ASP A 22 -17.770 3.062 -9.316 1.00 5.42 O ATOM 0 H ASP A 22 -14.238 1.162 -8.076 1.00 3.55 H new ATOM 0 HA ASP A 22 -14.565 3.473 -6.601 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -15.777 4.323 -8.435 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -14.608 3.210 -9.119 1.00 4.39 H new ATOM 330 N GLY A 23 -16.647 3.504 -5.378 1.00 3.52 N ATOM 331 CA GLY A 23 -17.803 3.508 -4.532 1.00 3.84 C ATOM 332 C GLY A 23 -17.411 3.564 -3.082 1.00 3.68 C ATOM 333 O GLY A 23 -18.026 4.278 -2.282 1.00 3.96 O ATOM 0 H GLY A 23 -16.002 4.277 -5.215 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -18.433 4.364 -4.775 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -18.396 2.613 -4.717 1.00 3.84 H new ATOM 337 N THR A 24 -16.391 2.838 -2.741 1.00 3.64 N ATOM 338 CA THR A 24 -15.892 2.802 -1.400 1.00 3.82 C ATOM 339 C THR A 24 -14.451 3.298 -1.413 1.00 3.09 C ATOM 340 O THR A 24 -13.508 2.519 -1.432 1.00 3.70 O ATOM 341 CB THR A 24 -15.979 1.365 -0.832 1.00 5.01 C ATOM 342 OG1 THR A 24 -17.316 0.852 -1.068 1.00 5.50 O ATOM 343 CG2 THR A 24 -15.710 1.359 0.671 1.00 5.84 C ATOM 0 H THR A 24 -15.875 2.247 -3.393 1.00 3.64 H new ATOM 0 HA THR A 24 -16.493 3.445 -0.757 1.00 3.82 H new ATOM 0 HB THR A 24 -15.231 0.745 -1.326 1.00 5.01 H new ATOM 0 HG1 THR A 24 -17.384 -0.059 -0.714 1.00 5.50 H new ATOM 0 HG21 THR A 24 -15.776 0.339 1.048 1.00 5.84 H new ATOM 0 HG22 THR A 24 -14.712 1.753 0.864 1.00 5.84 H new ATOM 0 HG23 THR A 24 -16.449 1.981 1.175 1.00 5.84 H new ATOM 351 N ASP A 25 -14.305 4.600 -1.525 1.00 2.19 N ATOM 352 CA ASP A 25 -12.989 5.209 -1.622 1.00 1.95 C ATOM 353 C ASP A 25 -12.562 5.680 -0.236 1.00 1.67 C ATOM 354 O ASP A 25 -13.335 5.577 0.735 1.00 2.10 O ATOM 355 CB ASP A 25 -13.041 6.410 -2.578 1.00 2.07 C ATOM 356 CG ASP A 25 -11.705 6.741 -3.224 1.00 2.73 C ATOM 357 OD1 ASP A 25 -10.760 7.200 -2.522 1.00 3.29 O ATOM 358 OD2 ASP A 25 -11.588 6.550 -4.448 1.00 3.15 O ATOM 0 H ASP A 25 -15.081 5.262 -1.552 1.00 2.19 H new ATOM 0 HA ASP A 25 -12.274 4.481 -2.005 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -13.772 6.207 -3.361 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -13.395 7.283 -2.030 1.00 2.07 H new ATOM 363 N LEU A 26 -11.396 6.240 -0.154 1.00 1.31 N ATOM 364 CA LEU A 26 -10.846 6.730 1.076 1.00 1.13 C ATOM 365 C LEU A 26 -10.412 8.192 0.901 1.00 1.22 C ATOM 366 O LEU A 26 -10.782 9.049 1.683 1.00 1.82 O ATOM 367 CB LEU A 26 -9.728 5.769 1.590 1.00 1.09 C ATOM 368 CG LEU A 26 -8.597 5.380 0.608 1.00 0.75 C ATOM 369 CD1 LEU A 26 -7.438 6.357 0.644 1.00 1.61 C ATOM 370 CD2 LEU A 26 -8.120 3.963 0.864 1.00 1.49 C ATOM 0 H LEU A 26 -10.783 6.374 -0.959 1.00 1.31 H new ATOM 0 HA LEU A 26 -11.600 6.736 1.863 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -9.268 6.229 2.464 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -10.207 4.850 1.929 1.00 1.09 H new ATOM 0 HG LEU A 26 -9.019 5.427 -0.396 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -6.672 6.039 -0.063 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -7.792 7.351 0.372 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -7.016 6.384 1.649 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -7.325 3.714 0.161 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -7.741 3.885 1.883 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -8.951 3.270 0.732 1.00 1.49 H new ATOM 382 N SER A 27 -9.641 8.452 -0.156 1.00 1.09 N ATOM 383 CA SER A 27 -9.228 9.807 -0.579 1.00 1.16 C ATOM 384 C SER A 27 -8.594 10.680 0.532 1.00 1.19 C ATOM 385 O SER A 27 -8.575 11.900 0.420 1.00 1.88 O ATOM 386 CB SER A 27 -10.414 10.519 -1.193 1.00 1.49 C ATOM 387 OG SER A 27 -10.925 9.801 -2.318 1.00 1.72 O ATOM 0 H SER A 27 -9.274 7.716 -0.760 1.00 1.09 H new ATOM 0 HA SER A 27 -8.431 9.664 -1.308 1.00 1.16 H new ATOM 0 HB2 SER A 27 -11.199 10.634 -0.445 1.00 1.49 H new ATOM 0 HB3 SER A 27 -10.119 11.522 -1.502 1.00 1.49 H new ATOM 0 HG SER A 27 -11.086 8.868 -2.065 1.00 1.72 H new ATOM 393 N GLY A 28 -8.019 10.068 1.546 1.00 0.90 N ATOM 394 CA GLY A 28 -7.467 10.855 2.624 1.00 1.11 C ATOM 395 C GLY A 28 -7.089 10.024 3.811 1.00 0.86 C ATOM 396 O GLY A 28 -5.991 9.496 3.860 1.00 1.32 O ATOM 0 H GLY A 28 -7.924 9.057 1.645 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -6.588 11.389 2.265 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -8.195 11.607 2.929 1.00 1.11 H new ATOM 400 N ASP A 29 -7.981 9.915 4.765 1.00 0.68 N ATOM 401 CA ASP A 29 -7.739 9.124 5.975 1.00 0.75 C ATOM 402 C ASP A 29 -7.903 7.646 5.663 1.00 0.61 C ATOM 403 O ASP A 29 -8.955 7.221 5.181 1.00 0.71 O ATOM 404 CB ASP A 29 -8.685 9.555 7.103 1.00 1.18 C ATOM 405 CG ASP A 29 -8.424 8.832 8.409 1.00 1.63 C ATOM 406 OD1 ASP A 29 -7.317 8.987 8.977 1.00 2.14 O ATOM 407 OD2 ASP A 29 -9.298 8.117 8.894 1.00 2.17 O ATOM 0 H ASP A 29 -8.896 10.365 4.737 1.00 0.68 H new ATOM 0 HA ASP A 29 -6.718 9.299 6.314 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -8.584 10.628 7.263 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -9.715 9.374 6.794 1.00 1.18 H new ATOM 412 N PHE A 30 -6.852 6.881 5.891 1.00 0.48 N ATOM 413 CA PHE A 30 -6.844 5.453 5.541 1.00 0.41 C ATOM 414 C PHE A 30 -5.764 4.706 6.342 1.00 0.34 C ATOM 415 O PHE A 30 -5.886 3.526 6.586 1.00 0.34 O ATOM 416 CB PHE A 30 -6.535 5.288 4.016 1.00 0.47 C ATOM 417 CG PHE A 30 -5.096 5.628 3.657 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.726 6.928 3.369 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.142 4.649 3.571 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.437 7.228 3.005 1.00 0.71 C ATOM 421 CE2 PHE A 30 -2.854 4.943 3.200 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.463 6.260 3.089 1.00 0.60 C ATOM 0 H PHE A 30 -5.987 7.215 6.317 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.823 5.037 5.777 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.744 4.260 3.718 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.207 5.928 3.444 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.460 7.718 3.431 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.408 3.628 3.799 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.189 8.219 2.654 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.152 4.148 2.996 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.416 6.526 3.068 1.00 0.60 H new ATOM 432 N LEU A 31 -4.716 5.450 6.735 1.00 0.36 N ATOM 433 CA LEU A 31 -3.471 4.921 7.308 1.00 0.36 C ATOM 434 C LEU A 31 -3.673 3.912 8.427 1.00 0.35 C ATOM 435 O LEU A 31 -2.999 2.876 8.458 1.00 0.37 O ATOM 436 CB LEU A 31 -2.583 6.075 7.801 1.00 0.44 C ATOM 437 CG LEU A 31 -1.175 5.693 8.270 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.333 5.209 7.100 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.505 6.859 8.973 1.00 0.64 C ATOM 0 H LEU A 31 -4.714 6.467 6.659 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.982 4.378 6.499 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.490 6.804 6.996 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -3.095 6.573 8.624 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.264 4.876 8.986 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.663 4.943 7.454 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.804 4.335 6.650 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.254 6.002 6.356 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.493 6.564 9.297 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.429 7.703 8.287 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -1.097 7.149 9.841 1.00 0.64 H new ATOM 451 N ASP A 32 -4.575 4.211 9.330 1.00 0.38 N ATOM 452 CA ASP A 32 -4.775 3.355 10.492 1.00 0.45 C ATOM 453 C ASP A 32 -6.017 2.481 10.329 1.00 0.41 C ATOM 454 O ASP A 32 -6.353 1.677 11.195 1.00 0.47 O ATOM 455 CB ASP A 32 -4.888 4.219 11.750 1.00 0.64 C ATOM 456 CG ASP A 32 -4.612 3.451 13.020 1.00 1.55 C ATOM 457 OD1 ASP A 32 -3.417 3.230 13.324 1.00 2.06 O ATOM 458 OD2 ASP A 32 -5.553 3.088 13.756 1.00 2.29 O ATOM 0 H ASP A 32 -5.181 5.031 9.291 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.916 2.691 10.586 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.188 5.052 11.676 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.889 4.647 11.801 1.00 0.64 H new ATOM 463 N LEU A 33 -6.673 2.614 9.205 1.00 0.41 N ATOM 464 CA LEU A 33 -7.896 1.877 8.946 1.00 0.45 C ATOM 465 C LEU A 33 -7.564 0.530 8.360 1.00 0.44 C ATOM 466 O LEU A 33 -6.519 0.354 7.762 1.00 0.56 O ATOM 467 CB LEU A 33 -8.848 2.628 7.981 1.00 0.51 C ATOM 468 CG LEU A 33 -9.513 3.927 8.475 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.504 5.032 8.711 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.577 4.385 7.490 1.00 1.61 C ATOM 0 H LEU A 33 -6.383 3.229 8.445 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.410 1.765 9.901 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.286 2.865 7.077 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.641 1.938 7.692 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.982 3.706 9.434 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -9.020 5.927 9.058 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.784 4.713 9.465 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -7.981 5.252 7.780 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -11.038 5.304 7.853 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.118 4.568 6.518 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.339 3.612 7.392 1.00 1.61 H new ATOM 482 N ARG A 34 -8.432 -0.416 8.535 1.00 0.45 N ATOM 483 CA ARG A 34 -8.231 -1.722 7.969 1.00 0.50 C ATOM 484 C ARG A 34 -8.501 -1.700 6.490 1.00 0.45 C ATOM 485 O ARG A 34 -9.387 -0.989 6.041 1.00 0.54 O ATOM 486 CB ARG A 34 -9.134 -2.753 8.636 1.00 0.71 C ATOM 487 CG ARG A 34 -8.744 -3.099 10.049 1.00 1.08 C ATOM 488 CD ARG A 34 -7.314 -3.577 10.083 1.00 1.18 C ATOM 489 NE ARG A 34 -6.992 -4.271 11.315 1.00 1.90 N ATOM 490 CZ ARG A 34 -6.518 -5.516 11.355 1.00 2.49 C ATOM 491 NH1 ARG A 34 -6.390 -6.208 10.219 1.00 2.61 N ATOM 492 NH2 ARG A 34 -6.219 -6.082 12.514 1.00 3.35 N ATOM 0 H ARG A 34 -9.295 -0.312 9.069 1.00 0.45 H new ATOM 0 HA ARG A 34 -7.192 -2.003 8.142 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -10.157 -2.377 8.636 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -9.130 -3.664 8.037 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -8.861 -2.227 10.692 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -9.405 -3.873 10.439 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -7.136 -4.242 9.238 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.646 -2.724 9.964 1.00 1.18 H new ATOM 0 HE ARG A 34 -7.136 -3.780 12.198 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -6.654 -5.783 9.330 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -6.028 -7.161 10.241 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -6.351 -5.565 13.383 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -5.857 -7.035 12.538 1.00 3.35 H new ATOM 506 N PHE A 35 -7.722 -2.456 5.732 1.00 0.40 N ATOM 507 CA PHE A 35 -7.920 -2.581 4.288 1.00 0.40 C ATOM 508 C PHE A 35 -9.335 -3.008 3.983 1.00 0.46 C ATOM 509 O PHE A 35 -9.994 -2.456 3.109 1.00 0.49 O ATOM 510 CB PHE A 35 -6.931 -3.549 3.665 1.00 0.39 C ATOM 511 CG PHE A 35 -5.515 -3.105 3.775 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.066 -2.009 3.062 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.634 -3.773 4.590 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.757 -1.596 3.157 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.329 -3.368 4.688 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.887 -2.280 3.972 1.00 0.48 C ATOM 0 H PHE A 35 -6.938 -2.999 6.093 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.743 -1.600 3.848 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -7.036 -4.522 4.144 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.180 -3.683 2.612 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.751 -1.471 2.423 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.973 -4.626 5.159 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.415 -0.740 2.595 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.645 -3.905 5.329 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.857 -1.964 4.050 1.00 0.48 H new ATOM 526 N GLU A 36 -9.800 -3.963 4.757 1.00 0.58 N ATOM 527 CA GLU A 36 -11.157 -4.496 4.664 1.00 0.74 C ATOM 528 C GLU A 36 -12.193 -3.361 4.779 1.00 0.75 C ATOM 529 O GLU A 36 -13.255 -3.404 4.181 1.00 0.84 O ATOM 530 CB GLU A 36 -11.405 -5.478 5.812 1.00 0.92 C ATOM 531 CG GLU A 36 -10.304 -6.504 6.057 1.00 1.14 C ATOM 532 CD GLU A 36 -9.987 -7.356 4.861 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.769 -8.263 4.558 1.00 1.93 O ATOM 534 OE2 GLU A 36 -8.973 -7.094 4.175 1.00 2.26 O ATOM 0 H GLU A 36 -9.241 -4.405 5.486 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.260 -4.995 3.700 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -11.553 -4.907 6.728 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -12.335 -6.011 5.615 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -9.399 -5.983 6.370 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -10.601 -7.151 6.883 1.00 1.14 H new ATOM 541 N ASP A 37 -11.832 -2.338 5.532 1.00 0.70 N ATOM 542 CA ASP A 37 -12.714 -1.227 5.854 1.00 0.77 C ATOM 543 C ASP A 37 -12.604 -0.123 4.789 1.00 0.71 C ATOM 544 O ASP A 37 -13.503 0.704 4.643 1.00 0.80 O ATOM 545 CB ASP A 37 -12.301 -0.661 7.225 1.00 0.85 C ATOM 546 CG ASP A 37 -13.392 0.093 7.948 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.652 1.267 7.644 1.00 2.27 O ATOM 548 OD2 ASP A 37 -13.997 -0.498 8.886 1.00 1.64 O ATOM 0 H ASP A 37 -10.903 -2.253 5.944 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.746 -1.578 5.880 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.966 -1.483 7.857 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.448 0.003 7.087 1.00 0.85 H new ATOM 553 N ILE A 38 -11.514 -0.132 4.030 1.00 0.62 N ATOM 554 CA ILE A 38 -11.252 0.928 3.043 1.00 0.65 C ATOM 555 C ILE A 38 -11.533 0.499 1.607 1.00 0.69 C ATOM 556 O ILE A 38 -10.953 1.044 0.673 1.00 0.75 O ATOM 557 CB ILE A 38 -9.805 1.502 3.132 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.739 0.389 2.965 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.611 2.259 4.437 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.308 0.887 2.963 1.00 0.56 C ATOM 0 H ILE A 38 -10.796 -0.855 4.073 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.956 1.716 3.309 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.671 2.202 2.307 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.858 -0.335 3.771 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -8.928 -0.141 2.031 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.596 2.653 4.482 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.322 3.083 4.489 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.776 1.584 5.277 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.629 0.043 2.842 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.168 1.587 2.139 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.096 1.390 3.907 1.00 0.56 H new ATOM 572 N GLY A 39 -12.455 -0.422 1.429 1.00 0.72 N ATOM 573 CA GLY A 39 -12.806 -0.854 0.084 1.00 0.81 C ATOM 574 C GLY A 39 -11.797 -1.813 -0.510 1.00 0.67 C ATOM 575 O GLY A 39 -11.849 -2.143 -1.692 1.00 0.72 O ATOM 0 H GLY A 39 -12.970 -0.882 2.180 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.785 -1.333 0.106 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -12.893 0.020 -0.562 1.00 0.81 H new ATOM 579 N TYR A 40 -10.877 -2.262 0.288 1.00 0.57 N ATOM 580 CA TYR A 40 -9.927 -3.203 -0.164 1.00 0.54 C ATOM 581 C TYR A 40 -10.431 -4.573 0.162 1.00 0.64 C ATOM 582 O TYR A 40 -10.380 -5.019 1.304 1.00 0.79 O ATOM 583 CB TYR A 40 -8.544 -2.931 0.441 1.00 0.55 C ATOM 584 CG TYR A 40 -7.768 -1.824 -0.227 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.370 -0.638 -0.635 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.429 -1.996 -0.489 1.00 0.68 C ATOM 587 CE1 TYR A 40 -7.645 0.336 -1.278 1.00 0.87 C ATOM 588 CE2 TYR A 40 -5.703 -1.036 -1.134 1.00 0.82 C ATOM 589 CZ TYR A 40 -6.311 0.126 -1.526 1.00 0.89 C ATOM 590 OH TYR A 40 -5.587 1.068 -2.182 1.00 1.12 O ATOM 0 H TYR A 40 -10.773 -1.982 1.263 1.00 0.57 H new ATOM 0 HA TYR A 40 -9.802 -3.120 -1.244 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.666 -2.685 1.496 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.956 -3.847 0.394 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.421 -0.481 -0.444 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -5.942 -2.909 -0.178 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.119 1.257 -1.585 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -4.653 -1.193 -1.334 1.00 0.82 H new ATOM 0 HH TYR A 40 -4.838 0.640 -2.646 1.00 1.12 H new ATOM 600 N ASP A 41 -10.944 -5.224 -0.848 1.00 0.68 N ATOM 601 CA ASP A 41 -11.530 -6.538 -0.708 1.00 0.90 C ATOM 602 C ASP A 41 -10.433 -7.559 -0.772 1.00 1.04 C ATOM 603 O ASP A 41 -10.430 -8.527 -0.009 1.00 1.93 O ATOM 604 CB ASP A 41 -12.560 -6.770 -1.828 1.00 1.00 C ATOM 605 CG ASP A 41 -13.223 -8.130 -1.776 1.00 1.48 C ATOM 606 OD1 ASP A 41 -14.143 -8.334 -0.949 1.00 2.20 O ATOM 607 OD2 ASP A 41 -12.867 -9.012 -2.581 1.00 2.00 O ATOM 0 H ASP A 41 -10.969 -4.858 -1.800 1.00 0.68 H new ATOM 0 HA ASP A 41 -12.046 -6.624 0.248 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -13.328 -5.999 -1.768 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -12.066 -6.653 -2.793 1.00 1.00 H new ATOM 612 N SER A 42 -9.463 -7.261 -1.634 1.00 0.72 N ATOM 613 CA SER A 42 -8.275 -8.066 -1.867 1.00 0.68 C ATOM 614 C SER A 42 -7.530 -7.486 -3.063 1.00 0.54 C ATOM 615 O SER A 42 -6.406 -7.026 -2.943 1.00 0.51 O ATOM 616 CB SER A 42 -8.656 -9.522 -2.153 1.00 0.82 C ATOM 617 OG SER A 42 -9.621 -9.561 -3.250 1.00 0.86 O ATOM 0 H SER A 42 -9.488 -6.419 -2.209 1.00 0.72 H new ATOM 0 HA SER A 42 -7.643 -8.048 -0.979 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.768 -10.098 -2.414 1.00 0.82 H new ATOM 0 HB3 SER A 42 -9.083 -9.980 -1.261 1.00 0.82 H new ATOM 622 N LEU A 43 -8.234 -7.437 -4.192 1.00 0.52 N ATOM 623 CA LEU A 43 -7.712 -6.963 -5.478 1.00 0.48 C ATOM 624 C LEU A 43 -7.049 -5.593 -5.373 1.00 0.39 C ATOM 625 O LEU A 43 -6.001 -5.362 -5.956 1.00 0.37 O ATOM 626 CB LEU A 43 -8.838 -6.915 -6.518 1.00 0.64 C ATOM 627 CG LEU A 43 -8.437 -6.459 -7.927 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.485 -7.451 -8.580 1.00 1.64 C ATOM 629 CD2 LEU A 43 -9.664 -6.238 -8.787 1.00 1.57 C ATOM 0 H LEU A 43 -9.209 -7.733 -4.242 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.945 -7.672 -5.791 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.279 -7.909 -6.592 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.617 -6.247 -6.150 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.910 -5.510 -7.834 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.220 -7.099 -9.577 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -6.583 -7.541 -7.975 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -7.970 -8.424 -8.656 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -9.358 -5.915 -9.782 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -10.226 -7.169 -8.865 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -10.292 -5.471 -8.334 1.00 1.57 H new ATOM 641 N ALA A 44 -7.647 -4.697 -4.615 1.00 0.41 N ATOM 642 CA ALA A 44 -7.100 -3.366 -4.468 1.00 0.39 C ATOM 643 C ALA A 44 -5.708 -3.370 -3.809 1.00 0.34 C ATOM 644 O ALA A 44 -4.893 -2.520 -4.105 1.00 0.35 O ATOM 645 CB ALA A 44 -8.062 -2.464 -3.728 1.00 0.49 C ATOM 0 H ALA A 44 -8.508 -4.866 -4.094 1.00 0.41 H new ATOM 0 HA ALA A 44 -6.964 -2.964 -5.472 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -7.627 -1.469 -3.631 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -8.998 -2.398 -4.282 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.255 -2.874 -2.737 1.00 0.49 H new ATOM 651 N LEU A 45 -5.427 -4.349 -2.950 1.00 0.37 N ATOM 652 CA LEU A 45 -4.122 -4.418 -2.288 1.00 0.42 C ATOM 653 C LEU A 45 -3.016 -4.662 -3.266 1.00 0.39 C ATOM 654 O LEU A 45 -2.039 -3.918 -3.309 1.00 0.43 O ATOM 655 CB LEU A 45 -4.079 -5.469 -1.191 1.00 0.54 C ATOM 656 CG LEU A 45 -4.512 -5.031 0.186 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.464 -6.198 1.122 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.556 -3.999 0.684 1.00 0.94 C ATOM 0 H LEU A 45 -6.074 -5.096 -2.698 1.00 0.37 H new ATOM 0 HA LEU A 45 -3.973 -3.443 -1.825 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.709 -6.305 -1.496 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -3.059 -5.847 -1.122 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.525 -4.632 0.137 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.777 -5.880 2.116 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.134 -6.980 0.763 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.446 -6.585 1.169 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.858 -3.674 1.680 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.553 -4.424 0.730 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.558 -3.145 0.007 1.00 0.94 H new ATOM 670 N MET A 46 -3.179 -5.690 -4.049 1.00 0.36 N ATOM 671 CA MET A 46 -2.191 -6.059 -5.059 1.00 0.41 C ATOM 672 C MET A 46 -2.051 -4.970 -6.103 1.00 0.39 C ATOM 673 O MET A 46 -0.986 -4.777 -6.654 1.00 0.49 O ATOM 674 CB MET A 46 -2.543 -7.404 -5.707 1.00 0.43 C ATOM 675 CG MET A 46 -3.797 -7.412 -6.566 1.00 0.34 C ATOM 676 SD MET A 46 -3.520 -6.890 -8.286 1.00 0.73 S ATOM 677 CE MET A 46 -2.322 -8.115 -8.822 1.00 1.38 C ATOM 0 H MET A 46 -3.993 -6.303 -4.017 1.00 0.36 H new ATOM 0 HA MET A 46 -1.227 -6.171 -4.562 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.701 -7.722 -6.322 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.660 -8.147 -4.918 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.219 -8.417 -6.566 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.539 -6.755 -6.113 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.570 -8.450 -9.829 1.00 1.38 H new ATOM 0 HE2 MET A 46 -1.325 -7.674 -8.822 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.342 -8.966 -8.141 1.00 1.38 H new ATOM 687 N GLU A 47 -3.134 -4.249 -6.333 1.00 0.31 N ATOM 688 CA GLU A 47 -3.163 -3.168 -7.282 1.00 0.37 C ATOM 689 C GLU A 47 -2.234 -2.052 -6.746 1.00 0.34 C ATOM 690 O GLU A 47 -1.322 -1.604 -7.438 1.00 0.38 O ATOM 691 CB GLU A 47 -4.625 -2.700 -7.421 1.00 0.44 C ATOM 692 CG GLU A 47 -5.019 -2.095 -8.763 1.00 0.62 C ATOM 693 CD GLU A 47 -4.281 -0.843 -9.111 1.00 0.99 C ATOM 694 OE1 GLU A 47 -4.573 0.210 -8.520 1.00 1.45 O ATOM 695 OE2 GLU A 47 -3.360 -0.899 -9.947 1.00 1.76 O ATOM 0 H GLU A 47 -4.023 -4.405 -5.858 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.809 -3.463 -8.270 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.276 -3.552 -7.226 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.823 -1.963 -6.643 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -4.848 -2.834 -9.546 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -6.088 -1.882 -8.753 1.00 0.62 H new ATOM 702 N THR A 48 -2.436 -1.687 -5.481 1.00 0.32 N ATOM 703 CA THR A 48 -1.611 -0.696 -4.786 1.00 0.33 C ATOM 704 C THR A 48 -0.154 -1.180 -4.712 1.00 0.32 C ATOM 705 O THR A 48 0.788 -0.397 -4.948 1.00 0.35 O ATOM 706 CB THR A 48 -2.173 -0.487 -3.357 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.526 -0.061 -3.456 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.377 0.555 -2.585 1.00 0.41 C ATOM 0 H THR A 48 -3.183 -2.073 -4.903 1.00 0.32 H new ATOM 0 HA THR A 48 -1.635 0.247 -5.332 1.00 0.33 H new ATOM 0 HB THR A 48 -2.100 -1.432 -2.818 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.687 0.312 -4.348 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.802 0.673 -1.588 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.339 0.232 -2.501 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.418 1.508 -3.112 1.00 0.41 H new ATOM 716 N ALA A 49 0.022 -2.457 -4.386 1.00 0.32 N ATOM 717 CA ALA A 49 1.333 -3.068 -4.324 1.00 0.33 C ATOM 718 C ALA A 49 2.031 -2.921 -5.660 1.00 0.30 C ATOM 719 O ALA A 49 3.105 -2.359 -5.721 1.00 0.29 O ATOM 720 CB ALA A 49 1.234 -4.535 -3.928 1.00 0.40 C ATOM 0 H ALA A 49 -0.744 -3.092 -4.159 1.00 0.32 H new ATOM 0 HA ALA A 49 1.919 -2.557 -3.560 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.233 -4.970 -3.889 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.764 -4.616 -2.948 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.634 -5.071 -4.663 1.00 0.40 H new ATOM 726 N ALA A 50 1.361 -3.352 -6.728 1.00 0.31 N ATOM 727 CA ALA A 50 1.886 -3.293 -8.095 1.00 0.35 C ATOM 728 C ALA A 50 2.299 -1.879 -8.483 1.00 0.33 C ATOM 729 O ALA A 50 3.300 -1.689 -9.172 1.00 0.37 O ATOM 730 CB ALA A 50 0.855 -3.818 -9.078 1.00 0.44 C ATOM 0 H ALA A 50 0.427 -3.757 -6.669 1.00 0.31 H new ATOM 0 HA ALA A 50 2.775 -3.922 -8.130 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.258 -3.768 -10.089 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.613 -4.853 -8.834 1.00 0.44 H new ATOM 0 HB3 ALA A 50 -0.048 -3.211 -9.017 1.00 0.44 H new ATOM 736 N ARG A 51 1.540 -0.896 -8.013 1.00 0.31 N ATOM 737 CA ARG A 51 1.828 0.510 -8.268 1.00 0.36 C ATOM 738 C ARG A 51 3.180 0.868 -7.687 1.00 0.30 C ATOM 739 O ARG A 51 4.094 1.301 -8.408 1.00 0.34 O ATOM 740 CB ARG A 51 0.748 1.404 -7.623 1.00 0.46 C ATOM 741 CG ARG A 51 -0.626 1.252 -8.218 1.00 0.91 C ATOM 742 CD ARG A 51 -0.670 1.704 -9.656 1.00 1.03 C ATOM 743 NE ARG A 51 -1.926 1.324 -10.265 1.00 1.65 N ATOM 744 CZ ARG A 51 -2.561 1.956 -11.235 1.00 2.23 C ATOM 745 NH1 ARG A 51 -2.145 3.142 -11.684 1.00 2.58 N ATOM 746 NH2 ARG A 51 -3.649 1.405 -11.720 1.00 3.05 N ATOM 0 H ARG A 51 0.708 -1.051 -7.444 1.00 0.31 H new ATOM 0 HA ARG A 51 1.833 0.674 -9.346 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.696 1.178 -6.558 1.00 0.46 H new ATOM 0 HB3 ARG A 51 1.056 2.446 -7.713 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -0.935 0.209 -8.156 1.00 0.91 H new ATOM 0 HG3 ARG A 51 -1.341 1.831 -7.633 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.546 2.786 -9.708 1.00 1.03 H new ATOM 0 HD3 ARG A 51 0.158 1.261 -10.209 1.00 1.03 H new ATOM 0 HE ARG A 51 -2.368 0.478 -9.907 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.319 3.580 -11.277 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -2.653 3.610 -12.435 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -3.980 0.515 -11.347 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -4.164 1.867 -12.470 1.00 3.05 H new ATOM 760 N LEU A 52 3.312 0.641 -6.407 1.00 0.25 N ATOM 761 CA LEU A 52 4.513 0.972 -5.678 1.00 0.24 C ATOM 762 C LEU A 52 5.706 0.092 -6.077 1.00 0.22 C ATOM 763 O LEU A 52 6.828 0.603 -6.229 1.00 0.26 O ATOM 764 CB LEU A 52 4.234 0.951 -4.176 1.00 0.28 C ATOM 765 CG LEU A 52 3.156 1.953 -3.714 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.881 1.829 -2.234 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.571 3.374 -4.045 1.00 0.41 C ATOM 0 H LEU A 52 2.583 0.217 -5.833 1.00 0.25 H new ATOM 0 HA LEU A 52 4.808 1.986 -5.949 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.925 -0.054 -3.890 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.161 1.162 -3.644 1.00 0.28 H new ATOM 0 HG LEU A 52 2.238 1.715 -4.251 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.117 2.550 -1.944 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.531 0.821 -2.012 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.796 2.027 -1.676 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.798 4.066 -3.711 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.508 3.606 -3.540 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.705 3.472 -5.122 1.00 0.41 H new ATOM 779 N GLU A 53 5.464 -1.214 -6.280 1.00 0.20 N ATOM 780 CA GLU A 53 6.520 -2.143 -6.694 1.00 0.25 C ATOM 781 C GLU A 53 7.151 -1.673 -7.982 1.00 0.29 C ATOM 782 O GLU A 53 8.346 -1.411 -8.035 1.00 0.32 O ATOM 783 CB GLU A 53 6.016 -3.583 -6.933 1.00 0.28 C ATOM 784 CG GLU A 53 5.449 -4.323 -5.740 1.00 0.30 C ATOM 785 CD GLU A 53 5.179 -5.789 -6.074 1.00 0.36 C ATOM 786 OE1 GLU A 53 4.088 -6.112 -6.606 1.00 0.55 O ATOM 787 OE2 GLU A 53 6.063 -6.642 -5.837 1.00 0.50 O ATOM 0 H GLU A 53 4.547 -1.646 -6.164 1.00 0.20 H new ATOM 0 HA GLU A 53 7.234 -2.157 -5.870 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.248 -3.549 -7.706 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.844 -4.169 -7.332 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.147 -4.260 -4.905 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.524 -3.845 -5.419 1.00 0.30 H new ATOM 794 N SER A 54 6.317 -1.500 -8.987 1.00 0.35 N ATOM 795 CA SER A 54 6.745 -1.173 -10.329 1.00 0.46 C ATOM 796 C SER A 54 7.435 0.193 -10.392 1.00 0.42 C ATOM 797 O SER A 54 8.380 0.380 -11.162 1.00 0.46 O ATOM 798 CB SER A 54 5.532 -1.212 -11.270 1.00 0.61 C ATOM 799 OG SER A 54 5.905 -1.121 -12.632 1.00 1.51 O ATOM 0 H SER A 54 5.305 -1.585 -8.891 1.00 0.35 H new ATOM 0 HA SER A 54 7.480 -1.913 -10.646 1.00 0.46 H new ATOM 0 HB2 SER A 54 4.979 -2.137 -11.108 1.00 0.61 H new ATOM 0 HB3 SER A 54 4.858 -0.391 -11.025 1.00 0.61 H new ATOM 0 HG SER A 54 5.102 -1.151 -13.194 1.00 1.51 H new ATOM 805 N ARG A 55 7.006 1.127 -9.554 1.00 0.40 N ATOM 806 CA ARG A 55 7.560 2.475 -9.579 1.00 0.45 C ATOM 807 C ARG A 55 9.042 2.467 -9.184 1.00 0.43 C ATOM 808 O ARG A 55 9.846 3.216 -9.736 1.00 0.49 O ATOM 809 CB ARG A 55 6.802 3.401 -8.630 1.00 0.54 C ATOM 810 CG ARG A 55 7.180 4.866 -8.805 1.00 0.70 C ATOM 811 CD ARG A 55 6.687 5.726 -7.664 1.00 1.09 C ATOM 812 NE ARG A 55 5.245 5.649 -7.448 1.00 1.64 N ATOM 813 CZ ARG A 55 4.649 6.008 -6.304 1.00 2.34 C ATOM 814 NH1 ARG A 55 5.385 6.341 -5.242 1.00 2.65 N ATOM 815 NH2 ARG A 55 3.322 6.014 -6.203 1.00 3.15 N ATOM 0 H ARG A 55 6.281 0.978 -8.852 1.00 0.40 H new ATOM 0 HA ARG A 55 7.458 2.844 -10.600 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.731 3.285 -8.795 1.00 0.54 H new ATOM 0 HB3 ARG A 55 7.000 3.100 -7.601 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.264 4.953 -8.880 1.00 0.70 H new ATOM 0 HG3 ARG A 55 6.765 5.237 -9.742 1.00 0.70 H new ATOM 0 HD2 ARG A 55 7.198 5.427 -6.749 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.961 6.763 -7.858 1.00 1.09 H new ATOM 0 HE ARG A 55 4.661 5.303 -8.209 1.00 1.64 H new ATOM 0 HH11 ARG A 55 6.403 6.322 -5.301 1.00 2.65 H new ATOM 0 HH12 ARG A 55 4.929 6.614 -4.371 1.00 2.65 H new ATOM 0 HH21 ARG A 55 2.748 5.743 -7.002 1.00 3.15 H new ATOM 0 HH22 ARG A 55 2.878 6.289 -5.327 1.00 3.15 H new ATOM 829 N TYR A 56 9.393 1.624 -8.231 1.00 0.40 N ATOM 830 CA TYR A 56 10.765 1.579 -7.732 1.00 0.48 C ATOM 831 C TYR A 56 11.520 0.363 -8.227 1.00 0.49 C ATOM 832 O TYR A 56 12.745 0.283 -8.103 1.00 0.63 O ATOM 833 CB TYR A 56 10.772 1.646 -6.203 1.00 0.57 C ATOM 834 CG TYR A 56 10.111 2.894 -5.697 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.775 4.111 -5.703 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.837 2.843 -5.167 1.00 0.58 C ATOM 837 CE1 TYR A 56 10.181 5.240 -5.202 1.00 0.94 C ATOM 838 CE2 TYR A 56 8.239 3.959 -4.651 1.00 0.69 C ATOM 839 CZ TYR A 56 8.887 5.223 -4.862 1.00 0.87 C ATOM 840 OH TYR A 56 8.314 6.259 -4.112 1.00 1.01 O ATOM 0 H TYR A 56 8.756 0.963 -7.786 1.00 0.40 H new ATOM 0 HA TYR A 56 11.287 2.450 -8.127 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.259 0.773 -5.799 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.800 1.607 -5.842 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.774 4.170 -6.108 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.303 1.904 -5.160 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.758 6.145 -5.081 1.00 0.94 H new ATOM 0 HE2 TYR A 56 7.311 3.892 -4.103 1.00 0.69 H new ATOM 0 HH TYR A 56 8.262 7.070 -4.660 1.00 1.01 H new ATOM 850 N GLY A 57 10.799 -0.573 -8.777 1.00 0.42 N ATOM 851 CA GLY A 57 11.399 -1.791 -9.258 1.00 0.47 C ATOM 852 C GLY A 57 11.682 -2.744 -8.119 1.00 0.48 C ATOM 853 O GLY A 57 12.649 -3.488 -8.157 1.00 0.64 O ATOM 0 H GLY A 57 9.789 -0.517 -8.905 1.00 0.42 H new ATOM 0 HA2 GLY A 57 10.735 -2.268 -9.979 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.326 -1.561 -9.783 1.00 0.47 H new ATOM 857 N VAL A 58 10.826 -2.716 -7.111 1.00 0.37 N ATOM 858 CA VAL A 58 10.996 -3.551 -5.928 1.00 0.39 C ATOM 859 C VAL A 58 10.082 -4.765 -5.981 1.00 0.37 C ATOM 860 O VAL A 58 9.276 -4.890 -6.902 1.00 0.39 O ATOM 861 CB VAL A 58 10.805 -2.787 -4.581 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.878 -1.728 -4.402 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.417 -2.154 -4.495 1.00 0.50 C ATOM 0 H VAL A 58 9.999 -2.120 -7.087 1.00 0.37 H new ATOM 0 HA VAL A 58 12.036 -3.878 -5.949 1.00 0.39 H new ATOM 0 HB VAL A 58 10.898 -3.515 -3.775 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.723 -1.209 -3.456 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.860 -2.202 -4.400 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.823 -1.012 -5.222 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.315 -1.629 -3.545 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.288 -1.448 -5.315 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.657 -2.933 -4.563 1.00 0.50 H new ATOM 873 N SER A 59 10.173 -5.623 -4.991 1.00 0.42 N ATOM 874 CA SER A 59 9.414 -6.850 -4.983 1.00 0.50 C ATOM 875 C SER A 59 8.761 -7.064 -3.620 1.00 0.48 C ATOM 876 O SER A 59 9.438 -6.998 -2.576 1.00 0.61 O ATOM 877 CB SER A 59 10.368 -8.009 -5.258 1.00 0.68 C ATOM 878 OG SER A 59 11.198 -7.737 -6.391 1.00 1.55 O ATOM 0 H SER A 59 10.771 -5.491 -4.175 1.00 0.42 H new ATOM 0 HA SER A 59 8.636 -6.797 -5.744 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.991 -8.187 -4.381 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.796 -8.921 -5.433 1.00 0.68 H new ATOM 0 HG SER A 59 11.801 -8.494 -6.544 1.00 1.55 H new ATOM 884 N ILE A 60 7.465 -7.256 -3.627 1.00 0.42 N ATOM 885 CA ILE A 60 6.705 -7.562 -2.432 1.00 0.43 C ATOM 886 C ILE A 60 6.172 -8.987 -2.534 1.00 0.48 C ATOM 887 O ILE A 60 5.577 -9.346 -3.554 1.00 0.51 O ATOM 888 CB ILE A 60 5.500 -6.598 -2.281 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.986 -5.156 -2.200 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.654 -6.954 -1.051 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.869 -4.153 -2.157 1.00 0.50 C ATOM 0 H ILE A 60 6.897 -7.204 -4.473 1.00 0.42 H new ATOM 0 HA ILE A 60 7.360 -7.451 -1.568 1.00 0.43 H new ATOM 0 HB ILE A 60 4.866 -6.706 -3.161 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.605 -5.038 -1.311 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.621 -4.945 -3.060 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.817 -6.260 -0.972 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.275 -7.971 -1.152 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.269 -6.884 -0.154 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.285 -3.147 -2.100 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.263 -4.244 -3.058 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.247 -4.339 -1.281 1.00 0.50 H new ATOM 903 N PRO A 61 6.398 -9.822 -1.513 1.00 0.55 N ATOM 904 CA PRO A 61 5.859 -11.183 -1.477 1.00 0.61 C ATOM 905 C PRO A 61 4.331 -11.167 -1.452 1.00 0.52 C ATOM 906 O PRO A 61 3.711 -10.393 -0.691 1.00 0.43 O ATOM 907 CB PRO A 61 6.406 -11.756 -0.165 1.00 0.69 C ATOM 908 CG PRO A 61 7.568 -10.894 0.171 1.00 0.75 C ATOM 909 CD PRO A 61 7.214 -9.529 -0.330 1.00 0.63 C ATOM 0 HA PRO A 61 6.143 -11.767 -2.352 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.653 -11.729 0.623 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.707 -12.797 -0.283 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.750 -10.882 1.246 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.479 -11.261 -0.302 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.659 -8.956 0.413 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.101 -8.948 -0.583 1.00 0.63 H new ATOM 917 N ASP A 62 3.734 -12.027 -2.257 1.00 0.58 N ATOM 918 CA ASP A 62 2.278 -12.116 -2.421 1.00 0.57 C ATOM 919 C ASP A 62 1.573 -12.336 -1.106 1.00 0.48 C ATOM 920 O ASP A 62 0.601 -11.657 -0.797 1.00 0.49 O ATOM 921 CB ASP A 62 1.870 -13.238 -3.395 1.00 0.74 C ATOM 922 CG ASP A 62 2.271 -12.988 -4.827 1.00 1.16 C ATOM 923 OD1 ASP A 62 1.527 -12.288 -5.561 1.00 1.91 O ATOM 924 OD2 ASP A 62 3.335 -13.456 -5.244 1.00 1.38 O ATOM 0 H ASP A 62 4.248 -12.698 -2.828 1.00 0.58 H new ATOM 0 HA ASP A 62 1.972 -11.156 -2.836 1.00 0.57 H new ATOM 0 HB2 ASP A 62 2.318 -14.174 -3.062 1.00 0.74 H new ATOM 0 HB3 ASP A 62 0.789 -13.368 -3.349 1.00 0.74 H new ATOM 929 N ASP A 63 2.073 -13.251 -0.305 1.00 0.51 N ATOM 930 CA ASP A 63 1.418 -13.563 0.958 1.00 0.55 C ATOM 931 C ASP A 63 1.656 -12.476 1.973 1.00 0.45 C ATOM 932 O ASP A 63 0.860 -12.279 2.868 1.00 0.48 O ATOM 933 CB ASP A 63 1.839 -14.925 1.516 1.00 0.80 C ATOM 934 CG ASP A 63 1.111 -15.270 2.808 1.00 1.25 C ATOM 935 OD1 ASP A 63 -0.136 -15.340 2.812 1.00 1.88 O ATOM 936 OD2 ASP A 63 1.764 -15.429 3.846 1.00 1.94 O ATOM 0 H ASP A 63 2.919 -13.788 -0.496 1.00 0.51 H new ATOM 0 HA ASP A 63 0.349 -13.619 0.751 1.00 0.55 H new ATOM 0 HB2 ASP A 63 1.641 -15.697 0.772 1.00 0.80 H new ATOM 0 HB3 ASP A 63 2.914 -14.925 1.696 1.00 0.80 H new ATOM 941 N VAL A 64 2.718 -11.719 1.792 1.00 0.43 N ATOM 942 CA VAL A 64 3.016 -10.653 2.713 1.00 0.43 C ATOM 943 C VAL A 64 2.130 -9.432 2.409 1.00 0.34 C ATOM 944 O VAL A 64 1.749 -8.684 3.309 1.00 0.37 O ATOM 945 CB VAL A 64 4.525 -10.295 2.765 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.790 -9.199 3.784 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.335 -11.530 3.125 1.00 0.70 C ATOM 0 H VAL A 64 3.380 -11.823 1.023 1.00 0.43 H new ATOM 0 HA VAL A 64 2.779 -11.007 3.716 1.00 0.43 H new ATOM 0 HB VAL A 64 4.824 -9.933 1.781 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.855 -8.967 3.800 1.00 0.66 H new ATOM 0 HG12 VAL A 64 4.228 -8.305 3.512 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.477 -9.537 4.772 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.394 -11.273 3.160 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.019 -11.901 4.100 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.174 -12.303 2.373 1.00 0.70 H new ATOM 957 N ALA A 65 1.747 -9.273 1.143 1.00 0.32 N ATOM 958 CA ALA A 65 0.764 -8.248 0.763 1.00 0.34 C ATOM 959 C ALA A 65 -0.603 -8.572 1.385 1.00 0.37 C ATOM 960 O ALA A 65 -1.459 -7.719 1.514 1.00 0.46 O ATOM 961 CB ALA A 65 0.661 -8.095 -0.747 1.00 0.42 C ATOM 0 H ALA A 65 2.096 -9.833 0.366 1.00 0.32 H new ATOM 0 HA ALA A 65 1.107 -7.290 1.154 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.076 -7.328 -0.986 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.631 -7.804 -1.150 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.354 -9.043 -1.189 1.00 0.42 H new ATOM 967 N GLY A 66 -0.773 -9.823 1.772 1.00 0.39 N ATOM 968 CA GLY A 66 -1.967 -10.250 2.458 1.00 0.50 C ATOM 969 C GLY A 66 -1.639 -10.620 3.886 1.00 0.52 C ATOM 970 O GLY A 66 -2.284 -11.486 4.484 1.00 0.73 O ATOM 0 H GLY A 66 -0.089 -10.564 1.618 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.710 -9.453 2.442 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.406 -11.105 1.944 1.00 0.50 H new ATOM 974 N ARG A 67 -0.584 -10.002 4.391 1.00 0.42 N ATOM 975 CA ARG A 67 -0.096 -10.199 5.755 1.00 0.50 C ATOM 976 C ARG A 67 0.037 -8.825 6.420 1.00 0.49 C ATOM 977 O ARG A 67 0.239 -8.700 7.629 1.00 0.60 O ATOM 978 CB ARG A 67 1.263 -10.897 5.694 1.00 0.56 C ATOM 979 CG ARG A 67 1.874 -11.280 7.022 1.00 1.09 C ATOM 980 CD ARG A 67 3.246 -11.897 6.812 1.00 1.24 C ATOM 981 NE ARG A 67 3.190 -13.109 5.976 1.00 2.11 N ATOM 982 CZ ARG A 67 4.221 -13.930 5.752 1.00 2.57 C ATOM 983 NH1 ARG A 67 5.447 -13.597 6.146 1.00 2.21 N ATOM 984 NH2 ARG A 67 4.036 -15.037 5.067 1.00 3.62 N ATOM 0 H ARG A 67 -0.028 -9.334 3.857 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.784 -10.816 6.333 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.158 -11.799 5.092 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.961 -10.244 5.171 1.00 0.56 H new ATOM 0 HG2 ARG A 67 1.957 -10.400 7.659 1.00 1.09 H new ATOM 0 HG3 ARG A 67 1.225 -11.987 7.538 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.904 -11.165 6.344 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.683 -12.145 7.779 1.00 1.24 H new ATOM 0 HE ARG A 67 2.299 -13.339 5.536 1.00 2.11 H new ATOM 0 HH11 ARG A 67 5.606 -12.710 6.623 1.00 2.21 H new ATOM 0 HH12 ARG A 67 6.228 -14.229 5.971 1.00 2.21 H new ATOM 0 HH21 ARG A 67 3.109 -15.266 4.709 1.00 3.62 H new ATOM 0 HH22 ARG A 67 4.820 -15.666 4.894 1.00 3.62 H new ATOM 998 N VAL A 68 -0.023 -7.805 5.600 1.00 0.44 N ATOM 999 CA VAL A 68 -0.052 -6.447 6.053 1.00 0.44 C ATOM 1000 C VAL A 68 -1.490 -6.110 6.427 1.00 0.52 C ATOM 1001 O VAL A 68 -2.394 -6.146 5.590 1.00 0.94 O ATOM 1002 CB VAL A 68 0.509 -5.475 4.968 1.00 0.46 C ATOM 1003 CG1 VAL A 68 2.004 -5.664 4.832 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.154 -5.697 3.616 1.00 0.57 C ATOM 0 H VAL A 68 -0.053 -7.902 4.585 1.00 0.44 H new ATOM 0 HA VAL A 68 0.591 -6.328 6.925 1.00 0.44 H new ATOM 0 HB VAL A 68 0.289 -4.457 5.290 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.389 -4.983 4.073 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.486 -5.454 5.787 1.00 0.50 H new ATOM 0 HG13 VAL A 68 2.215 -6.692 4.538 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.263 -5.002 2.888 1.00 0.57 H new ATOM 0 HG22 VAL A 68 0.026 -6.720 3.286 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.227 -5.528 3.705 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.713 -5.886 7.681 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.057 -5.661 8.178 1.00 0.57 C ATOM 1016 C ASP A 69 -3.450 -4.203 8.181 1.00 0.40 C ATOM 1017 O ASP A 69 -4.633 -3.878 8.078 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.265 -6.294 9.554 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.515 -7.785 9.485 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -2.532 -8.554 9.351 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -4.676 -8.218 9.558 1.00 2.46 O ATOM 0 H ASP A 69 -0.985 -5.851 8.395 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.724 -6.159 7.475 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.386 -6.106 10.171 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -4.109 -5.812 10.046 1.00 0.94 H new ATOM 1026 N THR A 70 -2.489 -3.330 8.268 1.00 0.35 N ATOM 1027 CA THR A 70 -2.760 -1.908 8.235 1.00 0.30 C ATOM 1028 C THR A 70 -1.916 -1.244 7.148 1.00 0.26 C ATOM 1029 O THR A 70 -0.813 -1.720 6.841 1.00 0.26 O ATOM 1030 CB THR A 70 -2.486 -1.237 9.610 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.184 -1.618 10.096 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.553 -1.616 10.637 1.00 0.52 C ATOM 0 H THR A 70 -1.503 -3.572 8.363 1.00 0.35 H new ATOM 0 HA THR A 70 -3.818 -1.774 8.009 1.00 0.30 H new ATOM 0 HB THR A 70 -2.519 -0.157 9.468 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.020 -1.189 10.962 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.332 -1.130 11.587 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.531 -1.291 10.282 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.558 -2.697 10.775 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.435 -0.178 6.502 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.707 0.567 5.470 1.00 0.28 C ATOM 1042 C PRO A 71 -0.372 1.072 5.978 1.00 0.27 C ATOM 1043 O PRO A 71 0.606 1.079 5.243 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.633 1.730 5.142 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.981 1.215 5.471 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.791 0.350 6.680 1.00 0.33 C ATOM 0 HA PRO A 71 -1.472 -0.052 4.604 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.388 2.614 5.731 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.559 2.016 4.093 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.674 2.031 5.676 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.397 0.644 4.641 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.883 0.922 7.603 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.532 -0.448 6.725 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.344 1.504 7.239 1.00 0.29 N ATOM 1055 CA ARG A 72 0.891 1.935 7.896 1.00 0.34 C ATOM 1056 C ARG A 72 1.948 0.816 7.809 1.00 0.32 C ATOM 1057 O ARG A 72 3.109 1.054 7.476 1.00 0.35 O ATOM 1058 CB ARG A 72 0.621 2.285 9.357 1.00 0.42 C ATOM 1059 CG ARG A 72 1.731 3.094 10.012 1.00 0.72 C ATOM 1060 CD ARG A 72 1.507 3.274 11.510 1.00 0.75 C ATOM 1061 NE ARG A 72 0.159 3.781 11.850 1.00 0.84 N ATOM 1062 CZ ARG A 72 -0.084 4.793 12.697 1.00 1.44 C ATOM 1063 NH1 ARG A 72 0.875 5.685 12.974 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -1.301 4.949 13.219 1.00 1.57 N ATOM 0 H ARG A 72 -1.172 1.565 7.832 1.00 0.29 H new ATOM 0 HA ARG A 72 1.267 2.823 7.389 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.311 2.847 9.420 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.475 1.363 9.920 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.687 2.597 9.847 1.00 0.72 H new ATOM 0 HG3 ARG A 72 1.794 4.072 9.536 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.663 2.318 12.010 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.255 3.964 11.901 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.642 3.329 11.409 1.00 0.84 H new ATOM 0 HH11 ARG A 72 1.794 5.597 12.541 1.00 2.34 H new ATOM 0 HH12 ARG A 72 0.687 6.453 13.618 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -2.048 4.299 12.975 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -1.485 5.718 13.863 1.00 1.57 H new ATOM 1078 N GLU A 73 1.505 -0.402 8.093 1.00 0.30 N ATOM 1079 CA GLU A 73 2.337 -1.598 8.053 1.00 0.31 C ATOM 1080 C GLU A 73 2.752 -1.945 6.610 1.00 0.30 C ATOM 1081 O GLU A 73 3.876 -2.389 6.366 1.00 0.33 O ATOM 1082 CB GLU A 73 1.590 -2.753 8.733 1.00 0.36 C ATOM 1083 CG GLU A 73 2.299 -4.087 8.731 1.00 0.42 C ATOM 1084 CD GLU A 73 1.601 -5.084 9.614 1.00 1.08 C ATOM 1085 OE1 GLU A 73 0.543 -5.603 9.204 1.00 1.74 O ATOM 1086 OE2 GLU A 73 2.122 -5.414 10.704 1.00 1.68 O ATOM 0 H GLU A 73 0.539 -0.590 8.363 1.00 0.30 H new ATOM 0 HA GLU A 73 3.262 -1.413 8.599 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.388 -2.472 9.767 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.625 -2.875 8.242 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.348 -4.473 7.713 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.326 -3.955 9.071 1.00 0.42 H new ATOM 1093 N LEU A 74 1.847 -1.725 5.671 1.00 0.28 N ATOM 1094 CA LEU A 74 2.122 -1.955 4.251 1.00 0.31 C ATOM 1095 C LEU A 74 3.162 -0.928 3.768 1.00 0.31 C ATOM 1096 O LEU A 74 4.101 -1.271 3.047 1.00 0.34 O ATOM 1097 CB LEU A 74 0.777 -1.924 3.444 1.00 0.32 C ATOM 1098 CG LEU A 74 0.786 -2.215 1.907 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.225 -1.000 1.101 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.688 -3.402 1.579 1.00 0.50 C ATOM 0 H LEU A 74 0.905 -1.384 5.863 1.00 0.28 H new ATOM 0 HA LEU A 74 2.554 -2.942 4.086 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.103 -2.644 3.907 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.335 -0.938 3.586 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.239 -2.457 1.627 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.217 -1.246 0.039 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.540 -0.173 1.287 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.233 -0.710 1.399 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.676 -3.582 0.504 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.707 -3.184 1.899 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.326 -4.289 2.100 1.00 0.50 H new ATOM 1112 N LEU A 75 2.991 0.314 4.201 1.00 0.32 N ATOM 1113 CA LEU A 75 3.937 1.396 3.941 1.00 0.34 C ATOM 1114 C LEU A 75 5.306 1.017 4.474 1.00 0.33 C ATOM 1115 O LEU A 75 6.303 1.080 3.760 1.00 0.31 O ATOM 1116 CB LEU A 75 3.465 2.678 4.634 1.00 0.38 C ATOM 1117 CG LEU A 75 4.346 3.919 4.466 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.434 4.324 3.010 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.812 5.065 5.304 1.00 0.52 C ATOM 0 H LEU A 75 2.182 0.604 4.750 1.00 0.32 H new ATOM 0 HA LEU A 75 3.996 1.564 2.866 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.468 2.917 4.264 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.368 2.472 5.700 1.00 0.38 H new ATOM 0 HG LEU A 75 5.350 3.673 4.812 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.065 5.208 2.916 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.864 3.507 2.431 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.436 4.549 2.634 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.450 5.939 5.173 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.797 5.305 4.987 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.805 4.775 6.355 1.00 0.52 H new ATOM 1131 N ASP A 76 5.322 0.595 5.730 1.00 0.35 N ATOM 1132 CA ASP A 76 6.543 0.187 6.426 1.00 0.37 C ATOM 1133 C ASP A 76 7.231 -0.958 5.708 1.00 0.34 C ATOM 1134 O ASP A 76 8.450 -1.001 5.632 1.00 0.35 O ATOM 1135 CB ASP A 76 6.222 -0.215 7.863 1.00 0.45 C ATOM 1136 CG ASP A 76 7.438 -0.660 8.645 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.183 0.205 9.143 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.645 -1.880 8.805 1.00 0.59 O ATOM 0 H ASP A 76 4.482 0.524 6.304 1.00 0.35 H new ATOM 0 HA ASP A 76 7.223 1.039 6.435 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.759 0.629 8.374 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.490 -1.022 7.852 1.00 0.45 H new ATOM 1143 N LEU A 77 6.441 -1.859 5.154 1.00 0.34 N ATOM 1144 CA LEU A 77 6.954 -3.003 4.415 1.00 0.35 C ATOM 1145 C LEU A 77 7.718 -2.533 3.185 1.00 0.34 C ATOM 1146 O LEU A 77 8.848 -2.962 2.934 1.00 0.43 O ATOM 1147 CB LEU A 77 5.800 -3.906 3.974 1.00 0.38 C ATOM 1148 CG LEU A 77 6.190 -5.151 3.181 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.981 -6.119 4.046 1.00 1.15 C ATOM 1150 CD2 LEU A 77 4.961 -5.814 2.591 1.00 1.54 C ATOM 0 H LEU A 77 5.423 -1.820 5.203 1.00 0.34 H new ATOM 0 HA LEU A 77 7.624 -3.563 5.067 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.252 -4.222 4.862 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.113 -3.315 3.369 1.00 0.38 H new ATOM 0 HG LEU A 77 6.834 -4.846 2.356 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.247 -6.998 3.459 1.00 1.15 H new ATOM 0 HD12 LEU A 77 7.889 -5.631 4.401 1.00 1.15 H new ATOM 0 HD13 LEU A 77 6.375 -6.423 4.899 1.00 1.15 H new ATOM 0 HD21 LEU A 77 5.259 -6.699 2.030 1.00 1.54 H new ATOM 0 HD22 LEU A 77 4.284 -6.105 3.394 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.455 -5.115 1.925 1.00 1.54 H new ATOM 1162 N ILE A 78 7.125 -1.612 2.450 1.00 0.27 N ATOM 1163 CA ILE A 78 7.747 -1.111 1.250 1.00 0.26 C ATOM 1164 C ILE A 78 8.915 -0.228 1.611 1.00 0.28 C ATOM 1165 O ILE A 78 9.942 -0.280 0.974 1.00 0.33 O ATOM 1166 CB ILE A 78 6.748 -0.392 0.303 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.643 -1.385 -0.074 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.456 0.143 -0.958 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.667 -0.891 -1.108 1.00 0.29 C ATOM 0 H ILE A 78 6.217 -1.200 2.665 1.00 0.27 H new ATOM 0 HA ILE A 78 8.114 -1.968 0.685 1.00 0.26 H new ATOM 0 HB ILE A 78 6.318 0.469 0.815 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.108 -2.299 -0.443 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.091 -1.650 0.828 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.729 0.641 -1.600 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.230 0.854 -0.667 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.910 -0.687 -1.500 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.925 -1.664 -1.307 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.168 0.005 -0.738 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.201 -0.655 -2.029 1.00 0.29 H new ATOM 1181 N ASN A 79 8.776 0.527 2.679 1.00 0.28 N ATOM 1182 CA ASN A 79 9.874 1.354 3.176 1.00 0.32 C ATOM 1183 C ASN A 79 11.036 0.504 3.658 1.00 0.34 C ATOM 1184 O ASN A 79 12.190 0.920 3.593 1.00 0.37 O ATOM 1185 CB ASN A 79 9.426 2.359 4.245 1.00 0.37 C ATOM 1186 CG ASN A 79 8.602 3.484 3.655 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.731 3.793 2.486 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.806 4.148 4.453 1.00 0.69 N ATOM 0 H ASN A 79 7.917 0.591 3.225 1.00 0.28 H new ATOM 0 HA ASN A 79 10.223 1.945 2.329 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.842 1.842 5.006 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.302 2.774 4.743 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.277 4.944 4.098 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.715 3.869 5.430 1.00 0.69 H new ATOM 1195 N GLY A 80 10.729 -0.689 4.126 1.00 0.37 N ATOM 1196 CA GLY A 80 11.751 -1.634 4.502 1.00 0.43 C ATOM 1197 C GLY A 80 12.476 -2.140 3.274 1.00 0.42 C ATOM 1198 O GLY A 80 13.694 -2.319 3.282 1.00 0.50 O ATOM 0 H GLY A 80 9.774 -1.024 4.254 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.460 -1.162 5.182 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.303 -2.470 5.038 1.00 0.43 H new ATOM 1202 N ALA A 81 11.732 -2.335 2.200 1.00 0.38 N ATOM 1203 CA ALA A 81 12.306 -2.769 0.937 1.00 0.40 C ATOM 1204 C ALA A 81 13.096 -1.616 0.313 1.00 0.37 C ATOM 1205 O ALA A 81 14.195 -1.806 -0.208 1.00 0.44 O ATOM 1206 CB ALA A 81 11.208 -3.248 -0.012 1.00 0.42 C ATOM 0 H ALA A 81 10.721 -2.199 2.177 1.00 0.38 H new ATOM 0 HA ALA A 81 12.982 -3.605 1.118 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.655 -3.569 -0.953 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.675 -4.084 0.441 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.510 -2.433 -0.202 1.00 0.42 H new ATOM 1212 N LEU A 82 12.545 -0.419 0.417 1.00 0.35 N ATOM 1213 CA LEU A 82 13.155 0.800 -0.097 1.00 0.39 C ATOM 1214 C LEU A 82 14.400 1.181 0.679 1.00 0.53 C ATOM 1215 O LEU A 82 15.260 1.889 0.159 1.00 0.67 O ATOM 1216 CB LEU A 82 12.157 1.957 -0.105 1.00 0.39 C ATOM 1217 CG LEU A 82 10.981 1.831 -1.072 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.082 3.051 -0.973 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.476 1.650 -2.495 1.00 0.49 C ATOM 0 H LEU A 82 11.644 -0.262 0.869 1.00 0.35 H new ATOM 0 HA LEU A 82 13.454 0.595 -1.125 1.00 0.39 H new ATOM 0 HB2 LEU A 82 11.760 2.073 0.903 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.698 2.873 -0.342 1.00 0.39 H new ATOM 0 HG LEU A 82 10.402 0.950 -0.797 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.249 2.946 -1.668 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.698 3.138 0.043 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.653 3.945 -1.223 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.623 1.562 -3.168 1.00 0.49 H new ATOM 0 HD22 LEU A 82 12.079 2.511 -2.783 1.00 0.49 H new ATOM 0 HD23 LEU A 82 12.082 0.746 -2.557 1.00 0.49 H new ATOM 1231 N ALA A 83 14.501 0.698 1.916 1.00 0.63 N ATOM 1232 CA ALA A 83 15.683 0.918 2.736 1.00 0.81 C ATOM 1233 C ALA A 83 16.888 0.260 2.085 1.00 0.84 C ATOM 1234 O ALA A 83 18.019 0.704 2.247 1.00 1.00 O ATOM 1235 CB ALA A 83 15.475 0.379 4.143 1.00 0.99 C ATOM 0 H ALA A 83 13.772 0.149 2.371 1.00 0.63 H new ATOM 0 HA ALA A 83 15.861 1.991 2.812 1.00 0.81 H new ATOM 0 HB1 ALA A 83 16.372 0.555 4.736 1.00 0.99 H new ATOM 0 HB2 ALA A 83 14.628 0.886 4.606 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.275 -0.692 4.097 1.00 0.99 H new ATOM 1241 N GLU A 84 16.639 -0.816 1.364 1.00 0.79 N ATOM 1242 CA GLU A 84 17.676 -1.469 0.600 1.00 0.94 C ATOM 1243 C GLU A 84 17.686 -0.900 -0.798 1.00 0.95 C ATOM 1244 O GLU A 84 18.750 -0.653 -1.374 1.00 1.34 O ATOM 1245 CB GLU A 84 17.423 -2.963 0.487 1.00 1.11 C ATOM 1246 CG GLU A 84 17.405 -3.718 1.785 1.00 1.64 C ATOM 1247 CD GLU A 84 17.218 -5.188 1.542 1.00 1.84 C ATOM 1248 OE1 GLU A 84 18.224 -5.906 1.342 1.00 2.22 O ATOM 1249 OE2 GLU A 84 16.054 -5.658 1.581 1.00 2.18 O ATOM 0 H GLU A 84 15.721 -1.256 1.293 1.00 0.79 H new ATOM 0 HA GLU A 84 18.625 -1.302 1.110 1.00 0.94 H new ATOM 0 HB2 GLU A 84 16.467 -3.115 -0.014 1.00 1.11 H new ATOM 0 HB3 GLU A 84 18.191 -3.396 -0.154 1.00 1.11 H new ATOM 0 HG2 GLU A 84 18.338 -3.549 2.323 1.00 1.64 H new ATOM 0 HG3 GLU A 84 16.600 -3.344 2.418 1.00 1.64 H new ATOM 1256 N ALA A 85 16.474 -0.709 -1.322 1.00 0.92 N ATOM 1257 CA ALA A 85 16.213 -0.260 -2.675 1.00 1.13 C ATOM 1258 C ALA A 85 16.708 -1.291 -3.653 1.00 1.45 C ATOM 1259 O ALA A 85 17.858 -1.262 -4.099 1.00 2.15 O ATOM 1260 CB ALA A 85 16.773 1.123 -2.961 1.00 1.72 C ATOM 0 H ALA A 85 15.620 -0.871 -0.788 1.00 0.92 H new ATOM 0 HA ALA A 85 15.134 -0.156 -2.792 1.00 1.13 H new ATOM 0 HB1 ALA A 85 16.545 1.402 -3.990 1.00 1.72 H new ATOM 0 HB2 ALA A 85 16.323 1.846 -2.280 1.00 1.72 H new ATOM 0 HB3 ALA A 85 17.854 1.115 -2.818 1.00 1.72 H new ATOM 1266 N ALA A 86 15.868 -2.240 -3.915 1.00 1.81 N ATOM 1267 CA ALA A 86 16.206 -3.335 -4.751 1.00 2.61 C ATOM 1268 C ALA A 86 15.186 -3.447 -5.847 1.00 2.71 C ATOM 1269 O ALA A 86 14.251 -4.250 -5.708 1.00 3.04 O ATOM 1270 CB ALA A 86 16.268 -4.614 -3.925 1.00 3.54 C ATOM 1271 OXT ALA A 86 15.299 -2.683 -6.840 1.00 3.10 O ATOM 0 H ALA A 86 14.917 -2.272 -3.547 1.00 1.81 H new ATOM 0 HA ALA A 86 17.187 -3.176 -5.200 1.00 2.61 H new ATOM 0 HB1 ALA A 86 16.528 -5.452 -4.571 1.00 3.54 H new ATOM 0 HB2 ALA A 86 17.024 -4.508 -3.147 1.00 3.54 H new ATOM 0 HB3 ALA A 86 15.297 -4.798 -3.465 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -10.562 -11.871 -2.941 1.00 1.31 O HETATM 1279 P24 PSR A 87 -9.880 -10.900 -3.954 1.00 1.02 P HETATM 1280 O26 PSR A 87 -10.642 -10.586 -5.262 1.00 1.20 O HETATM 1281 O27 PSR A 87 -8.495 -11.475 -4.313 1.00 0.86 O HETATM 1282 C28 PSR A 87 -7.645 -10.745 -5.253 1.00 0.77 C HETATM 1283 C29 PSR A 87 -6.261 -11.406 -5.400 1.00 0.82 C HETATM 1284 C30 PSR A 87 -5.536 -10.625 -6.445 1.00 0.94 C HETATM 1285 C31 PSR A 87 -5.468 -11.275 -4.096 1.00 0.94 C HETATM 1286 C32 PSR A 87 -6.369 -12.941 -5.892 1.00 0.97 C HETATM 1287 O33 PSR A 87 -7.060 -13.009 -7.131 1.00 1.07 O HETATM 1288 C34 PSR A 87 -7.159 -13.851 -4.938 1.00 1.04 C HETATM 1289 O35 PSR A 87 -8.182 -14.417 -5.367 1.00 1.12 O HETATM 1290 N36 PSR A 87 -6.720 -13.982 -3.710 1.00 1.17 N HETATM 1291 C37 PSR A 87 -7.343 -14.790 -2.664 1.00 1.38 C HETATM 1292 C38 PSR A 87 -6.658 -14.576 -1.314 1.00 1.65 C HETATM 1293 C39 PSR A 87 -6.893 -13.183 -0.724 1.00 1.64 C HETATM 1294 O40 PSR A 87 -7.960 -12.576 -0.878 1.00 2.45 O HETATM 1295 N41 PSR A 87 -5.875 -12.709 -0.030 1.00 1.40 N HETATM 1296 C42 PSR A 87 -5.845 -11.419 0.648 1.00 1.54 C HETATM 1297 C43 PSR A 87 -4.721 -10.540 0.140 1.00 1.34 C HETATM 1298 S1 PSR A 87 -5.210 -9.768 -1.325 1.00 1.78 S HETATM 1299 C1 PSR A 87 -3.670 -9.189 -1.925 1.00 1.60 C HETATM 1300 O1 PSR A 87 -3.558 -8.231 -2.692 1.00 2.22 O HETATM 1301 C2 PSR A 87 -2.455 -10.020 -1.512 1.00 1.64 C HETATM 1302 C3 PSR A 87 -1.830 -10.826 -2.664 1.00 1.78 C HETATM 1303 C4 PSR A 87 -1.136 -9.923 -3.661 1.00 1.76 C HETATM 0 HC43 PSR A 87 -1.858 -9.223 -4.082 1.00 1.76 H new HETATM 0 HC42 PSR A 87 -0.343 -9.368 -3.159 1.00 1.76 H new HETATM 0 HC41 PSR A 87 -0.706 -10.526 -4.461 1.00 1.76 H new HETATM 0 HC32 PSR A 87 -1.114 -11.543 -2.261 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -2.606 -11.400 -3.170 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -1.698 -9.356 -1.094 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -2.750 -10.707 -0.719 1.00 1.64 H new HETATM 0 H432 PSR A 87 -4.463 -9.792 0.889 1.00 1.34 H new HETATM 0 H431 PSR A 87 -3.827 -11.139 -0.033 1.00 1.34 H new HETATM 0 H422 PSR A 87 -6.798 -10.910 0.502 1.00 1.54 H new HETATM 0 H421 PSR A 87 -5.727 -11.575 1.720 1.00 1.54 H new HETATM 0 H411 PSR A 87 -5.041 -13.293 0.037 1.00 1.40 H new HETATM 0 H382 PSR A 87 -7.019 -15.326 -0.610 1.00 1.65 H new HETATM 0 H381 PSR A 87 -5.586 -14.737 -1.430 1.00 1.65 H new HETATM 0 H372 PSR A 87 -8.399 -14.532 -2.583 1.00 1.38 H new HETATM 0 H371 PSR A 87 -7.292 -15.844 -2.937 1.00 1.38 H new HETATM 0 H361 PSR A 87 -5.870 -13.476 -3.463 1.00 1.17 H new HETATM 0 H331 PSR A 87 -7.829 -13.610 -7.044 1.00 1.07 H new HETATM 0 H321 PSR A 87 -5.336 -13.284 -5.951 1.00 0.97 H new HETATM 0 H313 PSR A 87 -5.335 -10.220 -3.856 1.00 0.94 H new HETATM 0 H312 PSR A 87 -6.012 -11.765 -3.289 1.00 0.94 H new HETATM 0 H311 PSR A 87 -4.492 -11.746 -4.215 1.00 0.94 H new HETATM 0 H303 PSR A 87 -6.092 -10.667 -7.382 1.00 0.94 H new HETATM 0 H302 PSR A 87 -5.443 -9.587 -6.124 1.00 0.94 H new HETATM 0 H301 PSR A 87 -4.543 -11.050 -6.593 1.00 0.94 H new HETATM 0 H282 PSR A 87 -8.133 -10.701 -6.227 1.00 0.77 H new HETATM 0 H281 PSR A 87 -7.523 -9.717 -4.911 1.00 0.77 H new